⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9068 | 0.96 | — | — | |
| SCHEMBL31579419 | 0.96 | — | — | |
| SCHEMBL28753807 | 0.92 | — | — | |
| SCHEMBL28163017 | 0.92 | — | — | |
| SCHEMBL27876133 | 0.92 | — | — | |
| Water SCHEMBL664011 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL17373802 | 0.92 | — | — | |
| Methane SCHEMBL28009860 | 0.88 | — | — | |
| SCHEMBL27040247 | 0.85 | — | — | |
| SCHEMBL12554886 | 0.82 | TSHR (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294585-B | A kind of compound for treating gout | 成都海创药业有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-105294585-A | Compound for treating gout | HINOVA PHARMACEUTICALS INC | 2016-02-03 | — | — | CN | disclosed |